N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide

C16H25NO2 — CID 114753046

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
SMILESCCCCCCC(=O)N(CC)c1cc(O)ccc1C
InChIInChI=1S/C16H25NO2/c1-4-6-7-8-9-16(19)17(5-2)15-12-14(18)11-10-13(15)3/h10-12,18H,4-9H2,1-3H3
InChIKeyYSTMUIHTSWLWJX-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.02
Rot. Bonds7

About N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide (PubChem CID 114753046) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
PubChem CID114753046
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide
SMILESCCCCCCC(=O)N(CC)c1cc(O)ccc1C
InChIInChI=1S/C16H25NO2/c1-4-6-7-8-9-16(19)17(5-2)15-12-14(18)11-10-13(15)3/h10-12,18H,4-9H2,1-3H3
InChIKeyYSTMUIHTSWLWJX-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 28740208
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
CID 4038839
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 43210202
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107734533
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
CID 107734491
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 63564415
N-ethyl-N-phenyloctadecanamide
CID 151424183
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
2-[[ethyl-(5-hydroxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107737112

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide (CID 114753046) is N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide is CCCCCCC(=O)N(CC)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide?
The InChIKey is YSTMUIHTSWLWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-6-7-8-9-16(19)17(5-2)15-12-14(18)11-10-13(15)3/h10-12,18H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide has a molecular weight of 263.38 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)heptanamide is sourced from PubChem (CID 114753046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).